[(Z,3R)-5-(bromomethyl)-3-methylhept-4-enoxy]-tert-butyl-dimethylsilane

C15H31BrOSi — CID 101203636

IUPAC[(Z,3R)-5-(bromomethyl)-3-methylhept-4-enoxy]-tert-butyl-dimethylsilane
SMILESCC/C(=C/[C@H](C)CCO[Si](C)(C)C(C)(C)C)CBr
InChIInChI=1S/C15H31BrOSi/c1-8-14(12-16)11-13(2)9-10-17-18(6,7)15(3,4)5/h11,13H,8-10,12H2,1-7H3/b14-11-/t13-/m1/s1
InChIKeyZWYBJUOOFHRNNR-KECPUOCWSA-N
MW335.40 g/mol
LogP5.77
Rot. Bonds7

About [(Z,3R)-5-(bromomethyl)-3-methylhept-4-enoxy]-tert-butyl-dimethylsilane

[(Z,3R)-5-(bromomethyl)-3-methylhept-4-enoxy]-tert-butyl-dimethylsilane (PubChem CID 101203636) has the molecular formula C15H31BrOSi and a molecular weight of 335.40 g/mol. Its IUPAC name is [(Z,3R)-5-(bromomethyl)-3-methylhept-4-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(Z,3R)-5-(bromomethyl)-3-methylhept-4-enoxy]-tert-butyl-dimethylsilane
PubChem CID101203636
Molecular FormulaC15H31BrOSi
Molecular Weight335.40 g/mol
Exact Mass334.13
IUPAC Name[(Z,3R)-5-(bromomethyl)-3-methylhept-4-enoxy]-tert-butyl-dimethylsilane
SMILESCC/C(=C/[C@H](C)CCO[Si](C)(C)C(C)(C)C)CBr
InChIInChI=1S/C15H31BrOSi/c1-8-14(12-16)11-13(2)9-10-17-18(6,7)15(3,4)5/h11,13H,8-10,12H2,1-7H3/b14-11-/t13-/m1/s1
InChIKeyZWYBJUOOFHRNNR-KECPUOCWSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.40
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z,3R)-5-(bromomethyl)-3-methylhept-4-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(Z,3R)-5-(bromomethyl)-3-methylhept-4-enoxy]-tert-butyl-dimethylsilane (CID 101203636) is [(Z,3R)-5-(bromomethyl)-3-methylhept-4-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(Z,3R)-5-(bromomethyl)-3-methylhept-4-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(Z,3R)-5-(bromomethyl)-3-methylhept-4-enoxy]-tert-butyl-dimethylsilane is CC/C(=C/[C@H](C)CCO[Si](C)(C)C(C)(C)C)CBr.
What is the InChIKey of [(Z,3R)-5-(bromomethyl)-3-methylhept-4-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is ZWYBJUOOFHRNNR-KECPUOCWSA-N. The full InChI is InChI=1S/C15H31BrOSi/c1-8-14(12-16)11-13(2)9-10-17-18(6,7)15(3,4)5/h11,13H,8-10,12H2,1-7H3/b14-11-/t13-/m1/s1.
What are the key properties of [(Z,3R)-5-(bromomethyl)-3-methylhept-4-enoxy]-tert-butyl-dimethylsilane?
[(Z,3R)-5-(bromomethyl)-3-methylhept-4-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 335.40 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3R)-5-(bromomethyl)-3-methylhept-4-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 101203636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).